N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C17H19ClFN5O4S — CID 56532804

IUPACN-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1[nH]nc(C(N)=O)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H19ClFN5O4S/c1-9-14(15(16(20)25)23-22-9)21-17(26)10-4-6-24(7-5-10)29(27,28)11-2-3-13(19)12(18)8-11/h2-3,8,10H,4-7H2,1H3,(H2,20,25)(H,21,26)(H,22,23)
InChIKeyIZWPMDPBZLNZQT-UHFFFAOYSA-N
MW443.89 g/mol
LogP1.65
Rot. Bonds5

About N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 56532804) has the molecular formula C17H19ClFN5O4S and a molecular weight of 443.89 g/mol. Its IUPAC name is N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID56532804
Molecular FormulaC17H19ClFN5O4S
Molecular Weight443.89 g/mol
Exact Mass443.08
IUPAC NameN-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1[nH]nc(C(N)=O)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H19ClFN5O4S/c1-9-14(15(16(20)25)23-22-9)21-17(26)10-4-6-24(7-5-10)29(27,28)11-2-3-13(19)12(18)8-11/h2-3,8,10H,4-7H2,1H3,(H2,20,25)(H,21,26)(H,22,23)
InChIKeyIZWPMDPBZLNZQT-UHFFFAOYSA-N
XLogP1.65
TPSA138.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 55977883
N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 39752679
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27991642
1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27234369
1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327118
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 39752606
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 46529104
N-(3-chloro-4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4016678
1-(4-acetylphenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 26695995
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16577110

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 56532804) is N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide is Cc1[nH]nc(C(N)=O)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IZWPMDPBZLNZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O4S/c1-9-14(15(16(20)25)23-22-9)21-17(26)10-4-6-24(7-5-10)29(27,28)11-2-3-13(19)12(18)8-11/h2-3,8,10H,4-7H2,1H3,(H2,20,25)(H,21,26)(H,22,23).
What are the key properties of N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 443.89 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 56532804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).